################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30826 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 30826 1 2 '2D 1H-1H TOCSY' . . . 30826 1 3 '2D 1H-13C HSQC' . . . 30826 1 4 '2D DQF-COSY' . . . 30826 1 5 '2D 1H-15N HSQC' . . . 30826 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 CYS HA H 1 4.423 0.000 . . . . . A A 1 CYS HA . 30826 1 2 . 1 . 1 1 1 CYS HB2 H 1 3.354 0.000 . . . . . A A 1 CYS HB2 . 30826 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.247 0.000 . . . . . A A 1 CYS HB3 . 30826 1 4 . 1 . 1 1 1 CYS CB C 13 38.147 0.000 . . . . . A A 1 CYS CB . 30826 1 5 . 1 . 1 2 2 ARG H H 1 8.480 0.000 . . . . . A A 2 ARG H . 30826 1 6 . 1 . 1 2 2 ARG HA H 1 4.683 0.000 . . . . . A A 2 ARG HA . 30826 1 7 . 1 . 1 2 2 ARG HB2 H 1 1.943 0.000 . . . . . A A 2 ARG HB2 . 30826 1 8 . 1 . 1 2 2 ARG HB3 H 1 1.797 0.000 . . . . . A A 2 ARG HB3 . 30826 1 9 . 1 . 1 2 2 ARG HG2 H 1 1.663 0.000 . . . . . A A 2 ARG HG2 . 30826 1 10 . 1 . 1 2 2 ARG HG3 H 1 1.439 0.000 . . . . . A A 2 ARG HG3 . 30826 1 11 . 1 . 1 2 2 ARG HD2 H 1 3.194 0.000 . . . . . A A 2 ARG HD2 . 30826 1 12 . 1 . 1 2 2 ARG HD3 H 1 3.194 0.000 . . . . . A A 2 ARG HD3 . 30826 1 13 . 1 . 1 2 2 ARG HE H 1 7.155 0.000 . . . . . A A 2 ARG HE . 30826 1 14 . 1 . 1 2 2 ARG CA C 13 55.032 0.000 . . . . . A A 2 ARG CA . 30826 1 15 . 1 . 1 2 2 ARG CB C 13 33.095 0.000 . . . . . A A 2 ARG CB . 30826 1 16 . 1 . 1 2 2 ARG CG C 13 25.943 0.000 . . . . . A A 2 ARG CG . 30826 1 17 . 1 . 1 2 2 ARG CD C 13 43.307 0.000 . . . . . A A 2 ARG CD . 30826 1 18 . 1 . 1 2 2 ARG NE N 15 124.609 0.000 . . . . . A A 2 ARG NE . 30826 1 19 . 1 . 1 3 3 ASP H H 1 8.807 0.000 . . . . . A A 3 ASP H . 30826 1 20 . 1 . 1 3 3 ASP HA H 1 4.882 0.000 . . . . . A A 3 ASP HA . 30826 1 21 . 1 . 1 3 3 ASP HB2 H 1 3.285 0.000 . . . . . A A 3 ASP HB2 . 30826 1 22 . 1 . 1 3 3 ASP HB3 H 1 2.706 0.000 . . . . . A A 3 ASP HB3 . 30826 1 23 . 1 . 1 3 3 ASP CA C 13 52.718 0.000 . . . . . A A 3 ASP CA . 30826 1 24 . 1 . 1 3 3 ASP CB C 13 41.756 0.000 . . . . . A A 3 ASP CB . 30826 1 25 . 1 . 1 3 3 ASP N N 15 121.579 0.000 . . . . . A A 3 ASP N . 30826 1 26 . 1 . 1 4 4 ARG H H 1 8.854 0.000 . . . . . A A 4 ARG H . 30826 1 27 . 1 . 1 4 4 ARG HA H 1 4.456 0.000 . . . . . A A 4 ARG HA . 30826 1 28 . 1 . 1 4 4 ARG HB2 H 1 2.158 0.000 . . . . . A A 4 ARG HB2 . 30826 1 29 . 1 . 1 4 4 ARG HB3 H 1 1.993 0.000 . . . . . A A 4 ARG HB3 . 30826 1 30 . 1 . 1 4 4 ARG HG2 H 1 1.859 0.000 . . . . . A A 4 ARG HG2 . 30826 1 31 . 1 . 1 4 4 ARG HG3 H 1 1.674 0.000 . . . . . A A 4 ARG HG3 . 30826 1 32 . 1 . 1 4 4 ARG HD2 H 1 3.291 0.000 . . . . . A A 4 ARG HD2 . 30826 1 33 . 1 . 1 4 4 ARG HD3 H 1 3.291 0.000 . . . . . A A 4 ARG HD3 . 30826 1 34 . 1 . 1 4 4 ARG HE H 1 7.212 0.000 . . . . . A A 4 ARG HE . 30826 1 35 . 1 . 1 4 4 ARG CA C 13 57.024 0.000 . . . . . A A 4 ARG CA . 30826 1 36 . 1 . 1 4 4 ARG CB C 13 31.934 0.000 . . . . . A A 4 ARG CB . 30826 1 37 . 1 . 1 4 4 ARG CG C 13 28.262 0.000 . . . . . A A 4 ARG CG . 30826 1 38 . 1 . 1 4 4 ARG CD C 13 43.093 0.000 . . . . . A A 4 ARG CD . 30826 1 39 . 1 . 1 4 4 ARG N N 15 119.673 0.000 . . . . . A A 4 ARG N . 30826 1 40 . 1 . 1 4 4 ARG NE N 15 124.710 0.000 . . . . . A A 4 ARG NE . 30826 1 41 . 1 . 1 5 5 ILE H H 1 7.191 0.000 . . . . . A A 5 ILE H . 30826 1 42 . 1 . 1 5 5 ILE HA H 1 4.724 0.000 . . . . . A A 5 ILE HA . 30826 1 43 . 1 . 1 5 5 ILE HB H 1 2.237 0.000 . . . . . A A 5 ILE HB . 30826 1 44 . 1 . 1 5 5 ILE HG12 H 1 1.466 0.000 . . . . . A A 5 ILE HG12 . 30826 1 45 . 1 . 1 5 5 ILE HG13 H 1 0.858 0.000 . . . . . A A 5 ILE HG13 . 30826 1 46 . 1 . 1 5 5 ILE HG21 H 1 0.910 0.000 . . . . . A A 5 ILE HG21 . 30826 1 47 . 1 . 1 5 5 ILE HG22 H 1 0.910 0.000 . . . . . A A 5 ILE HG22 . 30826 1 48 . 1 . 1 5 5 ILE HG23 H 1 0.910 0.000 . . . . . A A 5 ILE HG23 . 30826 1 49 . 1 . 1 5 5 ILE HD11 H 1 0.733 0.000 . . . . . A A 5 ILE HD11 . 30826 1 50 . 1 . 1 5 5 ILE HD12 H 1 0.733 0.000 . . . . . A A 5 ILE HD12 . 30826 1 51 . 1 . 1 5 5 ILE HD13 H 1 0.733 0.000 . . . . . A A 5 ILE HD13 . 30826 1 52 . 1 . 1 5 5 ILE CA C 13 52.868 0.000 . . . . . A A 5 ILE CA . 30826 1 53 . 1 . 1 5 5 ILE CB C 13 37.676 0.000 . . . . . A A 5 ILE CB . 30826 1 54 . 1 . 1 5 5 ILE CG1 C 13 25.647 0.000 . . . . . A A 5 ILE CG1 . 30826 1 55 . 1 . 1 5 5 ILE CG2 C 13 17.453 0.000 . . . . . A A 5 ILE CG2 . 30826 1 56 . 1 . 1 5 5 ILE CD1 C 13 14.031 0.000 . . . . . A A 5 ILE CD1 . 30826 1 57 . 1 . 1 5 5 ILE N N 15 114.549 0.000 . . . . . A A 5 ILE N . 30826 1 58 . 1 . 1 6 6 PRO HA H 1 4.275 0.000 . . . . . A A 6 PRO HA . 30826 1 59 . 1 . 1 6 6 PRO HB2 H 1 2.491 0.000 . . . . . A A 6 PRO HB2 . 30826 1 60 . 1 . 1 6 6 PRO HB3 H 1 1.914 0.000 . . . . . A A 6 PRO HB3 . 30826 1 61 . 1 . 1 6 6 PRO HG2 H 1 2.186 0.000 . . . . . A A 6 PRO HG2 . 30826 1 62 . 1 . 1 6 6 PRO HG3 H 1 1.993 0.000 . . . . . A A 6 PRO HG3 . 30826 1 63 . 1 . 1 6 6 PRO HD2 H 1 3.862 0.000 . . . . . A A 6 PRO HD2 . 30826 1 64 . 1 . 1 6 6 PRO HD3 H 1 3.522 0.000 . . . . . A A 6 PRO HD3 . 30826 1 65 . 1 . 1 6 6 PRO CA C 13 64.149 0.000 . . . . . A A 6 PRO CA . 30826 1 66 . 1 . 1 6 6 PRO CB C 13 32.500 0.000 . . . . . A A 6 PRO CB . 30826 1 67 . 1 . 1 6 6 PRO CG C 13 28.170 0.000 . . . . . A A 6 PRO CG . 30826 1 68 . 1 . 1 6 6 PRO CD C 13 51.253 0.010 . . . . . A A 6 PRO CD . 30826 1 69 . 1 . 1 7 7 GLN H H 1 8.739 0.000 . . . . . A A 7 GLN H . 30826 1 70 . 1 . 1 7 7 GLN HA H 1 3.898 0.000 . . . . . A A 7 GLN HA . 30826 1 71 . 1 . 1 7 7 GLN HB2 H 1 2.260 0.000 . . . . . A A 7 GLN HB2 . 30826 1 72 . 1 . 1 7 7 GLN HB3 H 1 2.091 0.000 . . . . . A A 7 GLN HB3 . 30826 1 73 . 1 . 1 7 7 GLN HG2 H 1 2.476 0.000 . . . . . A A 7 GLN HG2 . 30826 1 74 . 1 . 1 7 7 GLN HG3 H 1 2.395 0.000 . . . . . A A 7 GLN HG3 . 30826 1 75 . 1 . 1 7 7 GLN HE21 H 1 7.638 0.000 . . . . . A A 7 GLN HE21 . 30826 1 76 . 1 . 1 7 7 GLN HE22 H 1 6.920 0.000 . . . . . A A 7 GLN HE22 . 30826 1 77 . 1 . 1 7 7 GLN CA C 13 59.767 0.000 . . . . . A A 7 GLN CA . 30826 1 78 . 1 . 1 7 7 GLN CB C 13 28.593 0.007 . . . . . A A 7 GLN CB . 30826 1 79 . 1 . 1 7 7 GLN CG C 13 33.721 0.000 . . . . . A A 7 GLN CG . 30826 1 80 . 1 . 1 7 7 GLN N N 15 124.523 0.000 . . . . . A A 7 GLN N . 30826 1 81 . 1 . 1 7 7 GLN NE2 N 15 112.155 0.000 . . . . . A A 7 GLN NE2 . 30826 1 82 . 1 . 1 8 8 ASN H H 1 8.915 0.000 . . . . . A A 8 ASN H . 30826 1 83 . 1 . 1 8 8 ASN HA H 1 4.434 0.000 . . . . . A A 8 ASN HA . 30826 1 84 . 1 . 1 8 8 ASN HB2 H 1 2.811 0.000 . . . . . A A 8 ASN HB2 . 30826 1 85 . 1 . 1 8 8 ASN HB3 H 1 2.811 0.000 . . . . . A A 8 ASN HB3 . 30826 1 86 . 1 . 1 8 8 ASN HD21 H 1 7.685 0.000 . . . . . A A 8 ASN HD21 . 30826 1 87 . 1 . 1 8 8 ASN HD22 H 1 6.901 0.000 . . . . . A A 8 ASN HD22 . 30826 1 88 . 1 . 1 8 8 ASN CA C 13 55.528 0.000 . . . . . A A 8 ASN CA . 30826 1 89 . 1 . 1 8 8 ASN CB C 13 36.672 0.000 . . . . . A A 8 ASN CB . 30826 1 90 . 1 . 1 8 8 ASN N N 15 114.518 0.000 . . . . . A A 8 ASN N . 30826 1 91 . 1 . 1 8 8 ASN ND2 N 15 113.428 0.000 . . . . . A A 8 ASN ND2 . 30826 1 92 . 1 . 1 9 9 VAL H H 1 7.390 0.000 . . . . . A A 9 VAL H . 30826 1 93 . 1 . 1 9 9 VAL HA H 1 3.773 0.000 . . . . . A A 9 VAL HA . 30826 1 94 . 1 . 1 9 9 VAL HB H 1 2.177 0.000 . . . . . A A 9 VAL HB . 30826 1 95 . 1 . 1 9 9 VAL HG11 H 1 0.958 0.000 . . . . . A A 9 VAL HG11 . 30826 1 96 . 1 . 1 9 9 VAL HG12 H 1 0.958 0.000 . . . . . A A 9 VAL HG12 . 30826 1 97 . 1 . 1 9 9 VAL HG13 H 1 0.958 0.000 . . . . . A A 9 VAL HG13 . 30826 1 98 . 1 . 1 9 9 VAL HG21 H 1 1.001 0.000 . . . . . A A 9 VAL HG21 . 30826 1 99 . 1 . 1 9 9 VAL HG22 H 1 1.001 0.000 . . . . . A A 9 VAL HG22 . 30826 1 100 . 1 . 1 9 9 VAL HG23 H 1 1.001 0.000 . . . . . A A 9 VAL HG23 . 30826 1 101 . 1 . 1 9 9 VAL CA C 13 65.798 0.000 . . . . . A A 9 VAL CA . 30826 1 102 . 1 . 1 9 9 VAL CB C 13 31.257 0.000 . . . . . A A 9 VAL CB . 30826 1 103 . 1 . 1 9 9 VAL CG1 C 13 22.050 0.000 . . . . . A A 9 VAL CG1 . 30826 1 104 . 1 . 1 9 9 VAL CG2 C 13 21.641 0.000 . . . . . A A 9 VAL CG2 . 30826 1 105 . 1 . 1 9 9 VAL N N 15 122.634 0.000 . . . . . A A 9 VAL N . 30826 1 106 . 1 . 1 10 10 CYS H H 1 7.664 0.000 . . . . . A A 10 CYS H . 30826 1 107 . 1 . 1 10 10 CYS HA H 1 4.571 0.000 . . . . . A A 10 CYS HA . 30826 1 108 . 1 . 1 10 10 CYS HB2 H 1 3.031 0.000 . . . . . A A 10 CYS HB2 . 30826 1 109 . 1 . 1 10 10 CYS HB3 H 1 2.717 0.000 . . . . . A A 10 CYS HB3 . 30826 1 110 . 1 . 1 10 10 CYS CA C 13 57.419 0.000 . . . . . A A 10 CYS CA . 30826 1 111 . 1 . 1 10 10 CYS CB C 13 37.378 0.000 . . . . . A A 10 CYS CB . 30826 1 112 . 1 . 1 10 10 CYS N N 15 118.759 0.000 . . . . . A A 10 CYS N . 30826 1 113 . 1 . 1 11 11 GLU H H 1 9.108 0.000 . . . . . A A 11 GLU H . 30826 1 114 . 1 . 1 11 11 GLU HA H 1 3.913 0.000 . . . . . A A 11 GLU HA . 30826 1 115 . 1 . 1 11 11 GLU HB2 H 1 2.184 0.000 . . . . . A A 11 GLU HB2 . 30826 1 116 . 1 . 1 11 11 GLU HB3 H 1 2.073 0.000 . . . . . A A 11 GLU HB3 . 30826 1 117 . 1 . 1 11 11 GLU HG2 H 1 2.506 0.000 . . . . . A A 11 GLU HG2 . 30826 1 118 . 1 . 1 11 11 GLU HG3 H 1 2.436 0.000 . . . . . A A 11 GLU HG3 . 30826 1 119 . 1 . 1 11 11 GLU CA C 13 59.306 0.000 . . . . . A A 11 GLU CA . 30826 1 120 . 1 . 1 11 11 GLU CB C 13 28.194 0.000 . . . . . A A 11 GLU CB . 30826 1 121 . 1 . 1 11 11 GLU CG C 13 34.893 0.000 . . . . . A A 11 GLU CG . 30826 1 122 . 1 . 1 11 11 GLU N N 15 120.009 0.000 . . . . . A A 11 GLU N . 30826 1 123 . 1 . 1 12 12 GLN H H 1 7.553 0.000 . . . . . A A 12 GLN H . 30826 1 124 . 1 . 1 12 12 GLN HA H 1 4.054 0.000 . . . . . A A 12 GLN HA . 30826 1 125 . 1 . 1 12 12 GLN HB2 H 1 2.261 0.000 . . . . . A A 12 GLN HB2 . 30826 1 126 . 1 . 1 12 12 GLN HB3 H 1 2.261 0.000 . . . . . A A 12 GLN HB3 . 30826 1 127 . 1 . 1 12 12 GLN HG2 H 1 2.516 0.000 . . . . . A A 12 GLN HG2 . 30826 1 128 . 1 . 1 12 12 GLN HG3 H 1 2.426 0.000 . . . . . A A 12 GLN HG3 . 30826 1 129 . 1 . 1 12 12 GLN HE21 H 1 7.388 0.000 . . . . . A A 12 GLN HE21 . 30826 1 130 . 1 . 1 12 12 GLN HE22 H 1 6.932 0.000 . . . . . A A 12 GLN HE22 . 30826 1 131 . 1 . 1 12 12 GLN CA C 13 58.783 0.000 . . . . . A A 12 GLN CA . 30826 1 132 . 1 . 1 12 12 GLN CB C 13 28.011 0.000 . . . . . A A 12 GLN CB . 30826 1 133 . 1 . 1 12 12 GLN CG C 13 33.727 0.000 . . . . . A A 12 GLN CG . 30826 1 134 . 1 . 1 12 12 GLN N N 15 120.106 0.000 . . . . . A A 12 GLN N . 30826 1 135 . 1 . 1 12 12 GLN NE2 N 15 112.010 0.000 . . . . . A A 12 GLN NE2 . 30826 1 136 . 1 . 1 13 13 MET H H 1 8.006 0.000 . . . . . A A 13 MET H . 30826 1 137 . 1 . 1 13 13 MET HA H 1 4.094 0.000 . . . . . A A 13 MET HA . 30826 1 138 . 1 . 1 13 13 MET HB2 H 1 2.392 0.000 . . . . . A A 13 MET HB2 . 30826 1 139 . 1 . 1 13 13 MET HB3 H 1 2.392 0.000 . . . . . A A 13 MET HB3 . 30826 1 140 . 1 . 1 13 13 MET HG2 H 1 2.669 0.000 . . . . . A A 13 MET HG2 . 30826 1 141 . 1 . 1 13 13 MET HG3 H 1 2.526 0.000 . . . . . A A 13 MET HG3 . 30826 1 142 . 1 . 1 13 13 MET HE1 H 1 1.974 0.000 . . . . . A A 13 MET HE1 . 30826 1 143 . 1 . 1 13 13 MET HE2 H 1 1.974 0.000 . . . . . A A 13 MET HE2 . 30826 1 144 . 1 . 1 13 13 MET HE3 H 1 1.974 0.000 . . . . . A A 13 MET HE3 . 30826 1 145 . 1 . 1 13 13 MET CA C 13 59.340 0.000 . . . . . A A 13 MET CA . 30826 1 146 . 1 . 1 13 13 MET CB C 13 32.420 0.000 . . . . . A A 13 MET CB . 30826 1 147 . 1 . 1 13 13 MET CG C 13 32.563 0.000 . . . . . A A 13 MET CG . 30826 1 148 . 1 . 1 13 13 MET CE C 13 17.329 0.000 . . . . . A A 13 MET CE . 30826 1 149 . 1 . 1 13 13 MET N N 15 119.210 0.000 . . . . . A A 13 MET N . 30826 1 150 . 1 . 1 14 14 LYS H H 1 8.314 0.000 . . . . . A A 14 LYS H . 30826 1 151 . 1 . 1 14 14 LYS HA H 1 4.133 0.000 . . . . . A A 14 LYS HA . 30826 1 152 . 1 . 1 14 14 LYS HB2 H 1 1.995 0.000 . . . . . A A 14 LYS HB2 . 30826 1 153 . 1 . 1 14 14 LYS HB3 H 1 1.995 0.000 . . . . . A A 14 LYS HB3 . 30826 1 154 . 1 . 1 14 14 LYS HG2 H 1 1.408 0.000 . . . . . A A 14 LYS HG2 . 30826 1 155 . 1 . 1 14 14 LYS HG3 H 1 1.355 0.000 . . . . . A A 14 LYS HG3 . 30826 1 156 . 1 . 1 14 14 LYS CA C 13 58.884 0.000 . . . . . A A 14 LYS CA . 30826 1 157 . 1 . 1 14 14 LYS CB C 13 32.894 0.000 . . . . . A A 14 LYS CB . 30826 1 158 . 1 . 1 14 14 LYS CG C 13 24.868 0.014 . . . . . A A 14 LYS CG . 30826 1 159 . 1 . 1 14 14 LYS N N 15 120.285 0.000 . . . . . A A 14 LYS N . 30826 1 160 . 1 . 1 15 15 LYS H H 1 8.402 0.000 . . . . . A A 15 LYS H . 30826 1 161 . 1 . 1 15 15 LYS HA H 1 4.077 0.000 . . . . . A A 15 LYS HA . 30826 1 162 . 1 . 1 15 15 LYS HB2 H 1 1.955 0.000 . . . . . A A 15 LYS HB2 . 30826 1 163 . 1 . 1 15 15 LYS HB3 H 1 1.955 0.000 . . . . . A A 15 LYS HB3 . 30826 1 164 . 1 . 1 15 15 LYS HG2 H 1 1.589 0.000 . . . . . A A 15 LYS HG2 . 30826 1 165 . 1 . 1 15 15 LYS HG3 H 1 1.499 0.000 . . . . . A A 15 LYS HG3 . 30826 1 166 . 1 . 1 15 15 LYS HD2 H 1 1.705 0.000 . . . . . A A 15 LYS HD2 . 30826 1 167 . 1 . 1 15 15 LYS HD3 H 1 1.705 0.000 . . . . . A A 15 LYS HD3 . 30826 1 168 . 1 . 1 15 15 LYS CA C 13 59.000 0.000 . . . . . A A 15 LYS CA . 30826 1 169 . 1 . 1 15 15 LYS CB C 13 32.109 0.000 . . . . . A A 15 LYS CB . 30826 1 170 . 1 . 1 15 15 LYS CG C 13 25.027 0.003 . . . . . A A 15 LYS CG . 30826 1 171 . 1 . 1 15 15 LYS CD C 13 29.396 0.000 . . . . . A A 15 LYS CD . 30826 1 172 . 1 . 1 15 15 LYS N N 15 122.186 0.000 . . . . . A A 15 LYS N . 30826 1 173 . 1 . 1 16 16 ASN H H 1 7.829 0.000 . . . . . A A 16 ASN H . 30826 1 174 . 1 . 1 16 16 ASN HA H 1 4.863 0.000 . . . . . A A 16 ASN HA . 30826 1 175 . 1 . 1 16 16 ASN HB2 H 1 3.081 0.000 . . . . . A A 16 ASN HB2 . 30826 1 176 . 1 . 1 16 16 ASN HB3 H 1 2.817 0.000 . . . . . A A 16 ASN HB3 . 30826 1 177 . 1 . 1 16 16 ASN HD21 H 1 7.547 0.000 . . . . . A A 16 ASN HD21 . 30826 1 178 . 1 . 1 16 16 ASN HD22 H 1 6.990 0.000 . . . . . A A 16 ASN HD22 . 30826 1 179 . 1 . 1 16 16 ASN CA C 13 52.852 0.000 . . . . . A A 16 ASN CA . 30826 1 180 . 1 . 1 16 16 ASN CB C 13 38.677 0.000 . . . . . A A 16 ASN CB . 30826 1 181 . 1 . 1 16 16 ASN N N 15 114.651 0.000 . . . . . A A 16 ASN N . 30826 1 182 . 1 . 1 16 16 ASN ND2 N 15 111.366 0.000 . . . . . A A 16 ASN ND2 . 30826 1 183 . 1 . 1 17 17 GLY H H 1 7.815 0.000 . . . . . A A 17 GLY H . 30826 1 184 . 1 . 1 17 17 GLY HA2 H 1 4.011 0.000 . . . . . A A 17 GLY HA2 . 30826 1 185 . 1 . 1 17 17 GLY HA3 H 1 4.228 0.000 . . . . . A A 17 GLY HA3 . 30826 1 186 . 1 . 1 17 17 GLY CA C 13 46.402 0.000 . . . . . A A 17 GLY CA . 30826 1 187 . 1 . 1 17 17 GLY N N 15 106.725 0.000 . . . . . A A 17 GLY N . 30826 1 188 . 1 . 1 18 18 LYS H H 1 8.276 0.000 . . . . . A A 18 LYS H . 30826 1 189 . 1 . 1 18 18 LYS HA H 1 4.210 0.000 . . . . . A A 18 LYS HA . 30826 1 190 . 1 . 1 18 18 LYS HB2 H 1 1.947 0.000 . . . . . A A 18 LYS HB2 . 30826 1 191 . 1 . 1 18 18 LYS HB3 H 1 1.737 0.000 . . . . . A A 18 LYS HB3 . 30826 1 192 . 1 . 1 18 18 LYS HG2 H 1 1.430 0.000 . . . . . A A 18 LYS HG2 . 30826 1 193 . 1 . 1 18 18 LYS HG3 H 1 1.430 0.000 . . . . . A A 18 LYS HG3 . 30826 1 194 . 1 . 1 18 18 LYS HD2 H 1 1.611 0.000 . . . . . A A 18 LYS HD2 . 30826 1 195 . 1 . 1 18 18 LYS HD3 H 1 1.611 0.000 . . . . . A A 18 LYS HD3 . 30826 1 196 . 1 . 1 18 18 LYS CA C 13 56.758 0.000 . . . . . A A 18 LYS CA . 30826 1 197 . 1 . 1 18 18 LYS CB C 13 32.274 0.000 . . . . . A A 18 LYS CB . 30826 1 198 . 1 . 1 18 18 LYS CG C 13 24.854 0.000 . . . . . A A 18 LYS CG . 30826 1 199 . 1 . 1 18 18 LYS CD C 13 29.588 0.000 . . . . . A A 18 LYS CD . 30826 1 200 . 1 . 1 18 18 LYS N N 15 116.456 0.000 . . . . . A A 18 LYS N . 30826 1 201 . 1 . 1 19 19 CYS H H 1 8.354 0.000 . . . . . A A 19 CYS H . 30826 1 202 . 1 . 1 19 19 CYS HA H 1 4.293 0.000 . . . . . A A 19 CYS HA . 30826 1 203 . 1 . 1 19 19 CYS HB2 H 1 3.070 0.000 . . . . . A A 19 CYS HB2 . 30826 1 204 . 1 . 1 19 19 CYS HB3 H 1 3.070 0.000 . . . . . A A 19 CYS HB3 . 30826 1 205 . 1 . 1 19 19 CYS CA C 13 56.156 0.000 . . . . . A A 19 CYS CA . 30826 1 206 . 1 . 1 19 19 CYS CB C 13 34.939 0.000 . . . . . A A 19 CYS CB . 30826 1 207 . 1 . 1 19 19 CYS N N 15 114.234 0.000 . . . . . A A 19 CYS N . 30826 1 208 . 1 . 1 20 20 GLY H H 1 7.485 0.000 . . . . . A A 20 GLY H . 30826 1 209 . 1 . 1 20 20 GLY HA2 H 1 3.641 0.000 . . . . . A A 20 GLY HA2 . 30826 1 210 . 1 . 1 20 20 GLY HA3 H 1 4.251 0.000 . . . . . A A 20 GLY HA3 . 30826 1 211 . 1 . 1 20 20 GLY CA C 13 44.564 0.000 . . . . . A A 20 GLY CA . 30826 1 212 . 1 . 1 20 20 GLY N N 15 104.125 0.000 . . . . . A A 20 GLY N . 30826 1 213 . 1 . 1 21 21 ASP H H 1 7.159 0.000 . . . . . A A 21 ASP H . 30826 1 214 . 1 . 1 21 21 ASP HA H 1 4.907 0.000 . . . . . A A 21 ASP HA . 30826 1 215 . 1 . 1 21 21 ASP HB2 H 1 2.817 0.000 . . . . . A A 21 ASP HB2 . 30826 1 216 . 1 . 1 21 21 ASP HB3 H 1 2.707 0.000 . . . . . A A 21 ASP HB3 . 30826 1 217 . 1 . 1 21 21 ASP CA C 13 51.255 0.000 . . . . . A A 21 ASP CA . 30826 1 218 . 1 . 1 21 21 ASP CB C 13 42.420 0.000 . . . . . A A 21 ASP CB . 30826 1 219 . 1 . 1 21 21 ASP N N 15 121.894 0.000 . . . . . A A 21 ASP N . 30826 1 220 . 1 . 1 22 22 PRO HA H 1 4.390 0.000 . . . . . A A 22 PRO HA . 30826 1 221 . 1 . 1 22 22 PRO HB2 H 1 2.394 0.000 . . . . . A A 22 PRO HB2 . 30826 1 222 . 1 . 1 22 22 PRO HB3 H 1 2.038 0.000 . . . . . A A 22 PRO HB3 . 30826 1 223 . 1 . 1 22 22 PRO HG2 H 1 2.082 0.000 . . . . . A A 22 PRO HG2 . 30826 1 224 . 1 . 1 22 22 PRO HG3 H 1 2.082 0.000 . . . . . A A 22 PRO HG3 . 30826 1 225 . 1 . 1 22 22 PRO HD2 H 1 4.092 0.000 . . . . . A A 22 PRO HD2 . 30826 1 226 . 1 . 1 22 22 PRO HD3 H 1 3.962 0.000 . . . . . A A 22 PRO HD3 . 30826 1 227 . 1 . 1 22 22 PRO CA C 13 64.802 0.000 . . . . . A A 22 PRO CA . 30826 1 228 . 1 . 1 22 22 PRO CB C 13 32.142 0.000 . . . . . A A 22 PRO CB . 30826 1 229 . 1 . 1 22 22 PRO CG C 13 27.219 0.000 . . . . . A A 22 PRO CG . 30826 1 230 . 1 . 1 22 22 PRO CD C 13 51.201 0.000 . . . . . A A 22 PRO CD . 30826 1 231 . 1 . 1 23 23 ARG H H 1 8.480 0.000 . . . . . A A 23 ARG H . 30826 1 232 . 1 . 1 23 23 ARG HA H 1 4.271 0.000 . . . . . A A 23 ARG HA . 30826 1 233 . 1 . 1 23 23 ARG HB2 H 1 1.956 0.000 . . . . . A A 23 ARG HB2 . 30826 1 234 . 1 . 1 23 23 ARG HB3 H 1 1.854 0.000 . . . . . A A 23 ARG HB3 . 30826 1 235 . 1 . 1 23 23 ARG HG2 H 1 1.734 0.000 . . . . . A A 23 ARG HG2 . 30826 1 236 . 1 . 1 23 23 ARG HG3 H 1 1.734 0.000 . . . . . A A 23 ARG HG3 . 30826 1 237 . 1 . 1 23 23 ARG HD2 H 1 3.239 0.000 . . . . . A A 23 ARG HD2 . 30826 1 238 . 1 . 1 23 23 ARG HD3 H 1 3.239 0.000 . . . . . A A 23 ARG HD3 . 30826 1 239 . 1 . 1 23 23 ARG HE H 1 7.519 0.000 . . . . . A A 23 ARG HE . 30826 1 240 . 1 . 1 23 23 ARG CA C 13 57.492 0.000 . . . . . A A 23 ARG CA . 30826 1 241 . 1 . 1 23 23 ARG CB C 13 30.017 0.000 . . . . . A A 23 ARG CB . 30826 1 242 . 1 . 1 23 23 ARG CG C 13 27.324 0.000 . . . . . A A 23 ARG CG . 30826 1 243 . 1 . 1 23 23 ARG CD C 13 43.060 0.000 . . . . . A A 23 ARG CD . 30826 1 244 . 1 . 1 23 23 ARG NE N 15 124.463 0.000 . . . . . A A 23 ARG NE . 30826 1 245 . 1 . 1 24 24 MET H H 1 8.010 0.000 . . . . . A A 24 MET H . 30826 1 246 . 1 . 1 24 24 MET HA H 1 4.844 0.000 . . . . . A A 24 MET HA . 30826 1 247 . 1 . 1 24 24 MET HB2 H 1 2.288 0.000 . . . . . A A 24 MET HB2 . 30826 1 248 . 1 . 1 24 24 MET HB3 H 1 2.132 0.000 . . . . . A A 24 MET HB3 . 30826 1 249 . 1 . 1 24 24 MET HG2 H 1 2.648 0.000 . . . . . A A 24 MET HG2 . 30826 1 250 . 1 . 1 24 24 MET HG3 H 1 2.410 0.000 . . . . . A A 24 MET HG3 . 30826 1 251 . 1 . 1 24 24 MET HE1 H 1 2.075 0.000 . . . . . A A 24 MET HE1 . 30826 1 252 . 1 . 1 24 24 MET HE2 H 1 2.075 0.000 . . . . . A A 24 MET HE2 . 30826 1 253 . 1 . 1 24 24 MET HE3 H 1 2.075 0.000 . . . . . A A 24 MET HE3 . 30826 1 254 . 1 . 1 24 24 MET CA C 13 53.991 0.000 . . . . . A A 24 MET CA . 30826 1 255 . 1 . 1 24 24 MET CB C 13 32.924 0.007 . . . . . A A 24 MET CB . 30826 1 256 . 1 . 1 24 24 MET CG C 13 32.635 0.000 . . . . . A A 24 MET CG . 30826 1 257 . 1 . 1 24 24 MET CE C 13 17.302 0.000 . . . . . A A 24 MET CE . 30826 1 258 . 1 . 1 24 24 MET N N 15 116.930 0.000 . . . . . A A 24 MET N . 30826 1 259 . 1 . 1 25 25 SER H H 1 7.898 0.000 . . . . . A A 25 SER H . 30826 1 260 . 1 . 1 25 25 SER HA H 1 4.319 0.000 . . . . . A A 25 SER HA . 30826 1 261 . 1 . 1 25 25 SER HB2 H 1 3.902 0.000 . . . . . A A 25 SER HB2 . 30826 1 262 . 1 . 1 25 25 SER HB3 H 1 3.902 0.000 . . . . . A A 25 SER HB3 . 30826 1 263 . 1 . 1 25 25 SER CA C 13 60.908 0.000 . . . . . A A 25 SER CA . 30826 1 264 . 1 . 1 25 25 SER CB C 13 67.561 0.000 . . . . . A A 25 SER CB . 30826 1 265 . 1 . 1 25 25 SER N N 15 116.581 0.000 . . . . . A A 25 SER N . 30826 1 266 . 1 . 1 26 26 THR H H 1 8.168 0.000 . . . . . A A 26 THR H . 30826 1 267 . 1 . 1 26 26 THR HA H 1 4.145 0.000 . . . . . A A 26 THR HA . 30826 1 268 . 1 . 1 26 26 THR HB H 1 4.266 0.000 . . . . . A A 26 THR HB . 30826 1 269 . 1 . 1 26 26 THR HG21 H 1 1.263 0.000 . . . . . A A 26 THR HG21 . 30826 1 270 . 1 . 1 26 26 THR HG22 H 1 1.263 0.000 . . . . . A A 26 THR HG22 . 30826 1 271 . 1 . 1 26 26 THR HG23 H 1 1.263 0.000 . . . . . A A 26 THR HG23 . 30826 1 272 . 1 . 1 26 26 THR CA C 13 64.817 0.000 . . . . . A A 26 THR CA . 30826 1 273 . 1 . 1 26 26 THR CB C 13 68.728 0.000 . . . . . A A 26 THR CB . 30826 1 274 . 1 . 1 26 26 THR CG2 C 13 21.909 0.000 . . . . . A A 26 THR CG2 . 30826 1 275 . 1 . 1 26 26 THR N N 15 115.366 0.000 . . . . . A A 26 THR N . 30826 1 276 . 1 . 1 27 27 ILE H H 1 7.711 0.000 . . . . . A A 27 ILE H . 30826 1 277 . 1 . 1 27 27 ILE HA H 1 3.835 0.000 . . . . . A A 27 ILE HA . 30826 1 278 . 1 . 1 27 27 ILE HB H 1 1.931 0.000 . . . . . A A 27 ILE HB . 30826 1 279 . 1 . 1 27 27 ILE HG12 H 1 1.576 0.000 . . . . . A A 27 ILE HG12 . 30826 1 280 . 1 . 1 27 27 ILE HG13 H 1 1.274 0.000 . . . . . A A 27 ILE HG13 . 30826 1 281 . 1 . 1 27 27 ILE HG21 H 1 0.857 0.000 . . . . . A A 27 ILE HG21 . 30826 1 282 . 1 . 1 27 27 ILE HG22 H 1 0.857 0.000 . . . . . A A 27 ILE HG22 . 30826 1 283 . 1 . 1 27 27 ILE HG23 H 1 0.857 0.000 . . . . . A A 27 ILE HG23 . 30826 1 284 . 1 . 1 27 27 ILE HD11 H 1 0.895 0.000 . . . . . A A 27 ILE HD11 . 30826 1 285 . 1 . 1 27 27 ILE HD12 H 1 0.895 0.000 . . . . . A A 27 ILE HD12 . 30826 1 286 . 1 . 1 27 27 ILE HD13 H 1 0.895 0.000 . . . . . A A 27 ILE HD13 . 30826 1 287 . 1 . 1 27 27 ILE CA C 13 64.004 0.000 . . . . . A A 27 ILE CA . 30826 1 288 . 1 . 1 27 27 ILE CB C 13 37.619 0.000 . . . . . A A 27 ILE CB . 30826 1 289 . 1 . 1 27 27 ILE CG1 C 13 28.583 0.000 . . . . . A A 27 ILE CG1 . 30826 1 290 . 1 . 1 27 27 ILE CG2 C 13 17.254 0.000 . . . . . A A 27 ILE CG2 . 30826 1 291 . 1 . 1 27 27 ILE CD1 C 13 12.558 0.000 . . . . . A A 27 ILE CD1 . 30826 1 292 . 1 . 1 27 27 ILE N N 15 121.919 0.000 . . . . . A A 27 ILE N . 30826 1 293 . 1 . 1 28 28 ALA H H 1 8.343 0.000 . . . . . A A 28 ALA H . 30826 1 294 . 1 . 1 28 28 ALA HA H 1 3.814 0.000 . . . . . A A 28 ALA HA . 30826 1 295 . 1 . 1 28 28 ALA HB1 H 1 1.409 0.000 . . . . . A A 28 ALA HB1 . 30826 1 296 . 1 . 1 28 28 ALA HB2 H 1 1.409 0.000 . . . . . A A 28 ALA HB2 . 30826 1 297 . 1 . 1 28 28 ALA HB3 H 1 1.409 0.000 . . . . . A A 28 ALA HB3 . 30826 1 298 . 1 . 1 28 28 ALA CA C 13 55.552 0.000 . . . . . A A 28 ALA CA . 30826 1 299 . 1 . 1 28 28 ALA CB C 13 19.217 0.000 . . . . . A A 28 ALA CB . 30826 1 300 . 1 . 1 28 28 ALA N N 15 122.039 0.000 . . . . . A A 28 ALA N . 30826 1 301 . 1 . 1 29 29 GLU H H 1 7.947 0.000 . . . . . A A 29 GLU H . 30826 1 302 . 1 . 1 29 29 GLU HA H 1 3.854 0.000 . . . . . A A 29 GLU HA . 30826 1 303 . 1 . 1 29 29 GLU HB2 H 1 2.133 0.000 . . . . . A A 29 GLU HB2 . 30826 1 304 . 1 . 1 29 29 GLU HB3 H 1 2.069 0.000 . . . . . A A 29 GLU HB3 . 30826 1 305 . 1 . 1 29 29 GLU HG2 H 1 2.541 0.000 . . . . . A A 29 GLU HG2 . 30826 1 306 . 1 . 1 29 29 GLU HG3 H 1 2.427 0.000 . . . . . A A 29 GLU HG3 . 30826 1 307 . 1 . 1 29 29 GLU CA C 13 58.059 0.000 . . . . . A A 29 GLU CA . 30826 1 308 . 1 . 1 29 29 GLU CB C 13 28.600 0.000 . . . . . A A 29 GLU CB . 30826 1 309 . 1 . 1 29 29 GLU CG C 13 33.843 0.000 . . . . . A A 29 GLU CG . 30826 1 310 . 1 . 1 29 29 GLU N N 15 111.810 0.000 . . . . . A A 29 GLU N . 30826 1 311 . 1 . 1 30 30 LEU H H 1 7.727 0.000 . . . . . A A 30 LEU H . 30826 1 312 . 1 . 1 30 30 LEU HA H 1 4.377 0.000 . . . . . A A 30 LEU HA . 30826 1 313 . 1 . 1 30 30 LEU HB2 H 1 1.892 0.000 . . . . . A A 30 LEU HB2 . 30826 1 314 . 1 . 1 30 30 LEU HB3 H 1 1.653 0.000 . . . . . A A 30 LEU HB3 . 30826 1 315 . 1 . 1 30 30 LEU HG H 1 1.680 0.000 . . . . . A A 30 LEU HG . 30826 1 316 . 1 . 1 30 30 LEU HD11 H 1 0.906 0.000 . . . . . A A 30 LEU HD11 . 30826 1 317 . 1 . 1 30 30 LEU HD12 H 1 0.906 0.000 . . . . . A A 30 LEU HD12 . 30826 1 318 . 1 . 1 30 30 LEU HD13 H 1 0.906 0.000 . . . . . A A 30 LEU HD13 . 30826 1 319 . 1 . 1 30 30 LEU HD21 H 1 0.871 0.000 . . . . . A A 30 LEU HD21 . 30826 1 320 . 1 . 1 30 30 LEU HD22 H 1 0.871 0.000 . . . . . A A 30 LEU HD22 . 30826 1 321 . 1 . 1 30 30 LEU HD23 H 1 0.871 0.000 . . . . . A A 30 LEU HD23 . 30826 1 322 . 1 . 1 30 30 LEU CA C 13 56.382 0.000 . . . . . A A 30 LEU CA . 30826 1 323 . 1 . 1 30 30 LEU CB C 13 42.856 0.000 . . . . . A A 30 LEU CB . 30826 1 324 . 1 . 1 30 30 LEU CD1 C 13 24.526 0.000 . . . . . A A 30 LEU CD1 . 30826 1 325 . 1 . 1 30 30 LEU CG C 13 26.966 0.000 . . . . . A A 30 LEU CG . 30826 1 326 . 1 . 1 30 30 LEU CD2 C 13 23.376 0.000 . . . . . A A 30 LEU CD2 . 30826 1 327 . 1 . 1 30 30 LEU N N 15 116.780 0.000 . . . . . A A 30 LEU N . 30826 1 328 . 1 . 1 31 31 GLN H H 1 8.191 0.000 . . . . . A A 31 GLN H . 30826 1 329 . 1 . 1 31 31 GLN HA H 1 4.483 0.000 . . . . . A A 31 GLN HA . 30826 1 330 . 1 . 1 31 31 GLN HB2 H 1 2.155 0.000 . . . . . A A 31 GLN HB2 . 30826 1 331 . 1 . 1 31 31 GLN HB3 H 1 2.155 0.000 . . . . . A A 31 GLN HB3 . 30826 1 332 . 1 . 1 31 31 GLN HG2 H 1 2.454 0.000 . . . . . A A 31 GLN HG2 . 30826 1 333 . 1 . 1 31 31 GLN HG3 H 1 2.283 0.000 . . . . . A A 31 GLN HG3 . 30826 1 334 . 1 . 1 31 31 GLN HE21 H 1 7.205 0.000 . . . . . A A 31 GLN HE21 . 30826 1 335 . 1 . 1 31 31 GLN HE22 H 1 6.494 0.000 . . . . . A A 31 GLN HE22 . 30826 1 336 . 1 . 1 31 31 GLN CA C 13 58.187 0.000 . . . . . A A 31 GLN CA . 30826 1 337 . 1 . 1 31 31 GLN CB C 13 29.583 0.000 . . . . . A A 31 GLN CB . 30826 1 338 . 1 . 1 31 31 GLN CG C 13 33.682 0.000 . . . . . A A 31 GLN CG . 30826 1 339 . 1 . 1 31 31 GLN N N 15 115.034 0.000 . . . . . A A 31 GLN N . 30826 1 340 . 1 . 1 31 31 GLN NE2 N 15 108.981 0.000 . . . . . A A 31 GLN NE2 . 30826 1 341 . 1 . 1 32 32 CYS H H 1 8.115 0.000 . . . . . A A 32 CYS H . 30826 1 342 . 1 . 1 32 32 CYS HA H 1 5.667 0.000 . . . . . A A 32 CYS HA . 30826 1 343 . 1 . 1 32 32 CYS HB2 H 1 3.219 0.000 . . . . . A A 32 CYS HB2 . 30826 1 344 . 1 . 1 32 32 CYS HB3 H 1 2.772 0.000 . . . . . A A 32 CYS HB3 . 30826 1 345 . 1 . 1 32 32 CYS CA C 13 52.998 0.000 . . . . . A A 32 CYS CA . 30826 1 346 . 1 . 1 32 32 CYS CB C 13 41.263 0.000 . . . . . A A 32 CYS CB . 30826 1 347 . 1 . 1 32 32 CYS N N 15 115.572 0.000 . . . . . A A 32 CYS N . 30826 1 348 . 1 . 1 33 33 PRO HA H 1 4.290 0.000 . . . . . A A 33 PRO HA . 30826 1 349 . 1 . 1 33 33 PRO HB2 H 1 2.336 0.000 . . . . . A A 33 PRO HB2 . 30826 1 350 . 1 . 1 33 33 PRO HB3 H 1 1.826 0.000 . . . . . A A 33 PRO HB3 . 30826 1 351 . 1 . 1 33 33 PRO HG2 H 1 2.028 0.000 . . . . . A A 33 PRO HG2 . 30826 1 352 . 1 . 1 33 33 PRO HG3 H 1 2.028 0.000 . . . . . A A 33 PRO HG3 . 30826 1 353 . 1 . 1 33 33 PRO HD2 H 1 3.723 0.000 . . . . . A A 33 PRO HD2 . 30826 1 354 . 1 . 1 33 33 PRO HD3 H 1 3.376 0.000 . . . . . A A 33 PRO HD3 . 30826 1 355 . 1 . 1 33 33 PRO CA C 13 66.221 0.000 . . . . . A A 33 PRO CA . 30826 1 356 . 1 . 1 33 33 PRO CB C 13 30.570 0.000 . . . . . A A 33 PRO CB . 30826 1 357 . 1 . 1 33 33 PRO CG C 13 28.071 0.000 . . . . . A A 33 PRO CG . 30826 1 358 . 1 . 1 33 33 PRO CD C 13 50.390 0.021 . . . . . A A 33 PRO CD . 30826 1 359 . 1 . 1 34 34 LYS H H 1 7.390 0.000 . . . . . A A 34 LYS H . 30826 1 360 . 1 . 1 34 34 LYS HA H 1 4.176 0.000 . . . . . A A 34 LYS HA . 30826 1 361 . 1 . 1 34 34 LYS HB2 H 1 1.857 0.000 . . . . . A A 34 LYS HB2 . 30826 1 362 . 1 . 1 34 34 LYS HB3 H 1 1.467 0.000 . . . . . A A 34 LYS HB3 . 30826 1 363 . 1 . 1 34 34 LYS HG2 H 1 1.334 0.000 . . . . . A A 34 LYS HG2 . 30826 1 364 . 1 . 1 34 34 LYS HG3 H 1 1.334 0.000 . . . . . A A 34 LYS HG3 . 30826 1 365 . 1 . 1 34 34 LYS HD2 H 1 1.758 0.000 . . . . . A A 34 LYS HD2 . 30826 1 366 . 1 . 1 34 34 LYS HD3 H 1 1.641 0.000 . . . . . A A 34 LYS HD3 . 30826 1 367 . 1 . 1 34 34 LYS HE2 H 1 2.881 0.000 . . . . . A A 34 LYS HE2 . 30826 1 368 . 1 . 1 34 34 LYS HE3 H 1 2.881 0.000 . . . . . A A 34 LYS HE3 . 30826 1 369 . 1 . 1 34 34 LYS CA C 13 58.681 0.000 . . . . . A A 34 LYS CA . 30826 1 370 . 1 . 1 34 34 LYS CB C 13 32.600 0.023 . . . . . A A 34 LYS CB . 30826 1 371 . 1 . 1 34 34 LYS CG C 13 24.854 0.000 . . . . . A A 34 LYS CG . 30826 1 372 . 1 . 1 34 34 LYS CD C 13 29.089 0.000 . . . . . A A 34 LYS CD . 30826 1 373 . 1 . 1 34 34 LYS CE C 13 41.856 0.000 . . . . . A A 34 LYS CE . 30826 1 374 . 1 . 1 34 34 LYS N N 15 119.009 0.000 . . . . . A A 34 LYS N . 30826 1 375 . 1 . 1 35 35 THR H H 1 10.301 0.000 . . . . . A A 35 THR H . 30826 1 376 . 1 . 1 35 35 THR HA H 1 3.904 0.000 . . . . . A A 35 THR HA . 30826 1 377 . 1 . 1 35 35 THR HB H 1 3.834 0.000 . . . . . A A 35 THR HB . 30826 1 378 . 1 . 1 35 35 THR HG21 H 1 1.014 0.000 . . . . . A A 35 THR HG21 . 30826 1 379 . 1 . 1 35 35 THR HG22 H 1 1.014 0.000 . . . . . A A 35 THR HG22 . 30826 1 380 . 1 . 1 35 35 THR HG23 H 1 1.014 0.000 . . . . . A A 35 THR HG23 . 30826 1 381 . 1 . 1 35 35 THR CA C 13 62.742 0.000 . . . . . A A 35 THR CA . 30826 1 382 . 1 . 1 35 35 THR CB C 13 67.792 0.000 . . . . . A A 35 THR CB . 30826 1 383 . 1 . 1 35 35 THR CG2 C 13 22.117 0.000 . . . . . A A 35 THR CG2 . 30826 1 384 . 1 . 1 35 35 THR N N 15 123.086 0.000 . . . . . A A 35 THR N . 30826 1 385 . 1 . 1 36 36 CYS H H 1 8.663 0.000 . . . . . A A 36 CYS H . 30826 1 386 . 1 . 1 36 36 CYS HA H 1 4.877 0.000 . . . . . A A 36 CYS HA . 30826 1 387 . 1 . 1 36 36 CYS HB2 H 1 3.277 0.000 . . . . . A A 36 CYS HB2 . 30826 1 388 . 1 . 1 36 36 CYS HB3 H 1 2.967 0.000 . . . . . A A 36 CYS HB3 . 30826 1 389 . 1 . 1 36 36 CYS CA C 13 55.492 0.000 . . . . . A A 36 CYS CA . 30826 1 390 . 1 . 1 36 36 CYS CB C 13 34.270 0.000 . . . . . A A 36 CYS CB . 30826 1 391 . 1 . 1 36 36 CYS N N 15 112.408 0.000 . . . . . A A 36 CYS N . 30826 1 392 . 1 . 1 37 37 GLY H H 1 7.589 0.000 . . . . . A A 37 GLY H . 30826 1 393 . 1 . 1 37 37 GLY HA2 H 1 4.021 0.000 . . . . . A A 37 GLY HA2 . 30826 1 394 . 1 . 1 37 37 GLY HA3 H 1 4.069 0.000 . . . . . A A 37 GLY HA3 . 30826 1 395 . 1 . 1 37 37 GLY CA C 13 46.936 0.000 . . . . . A A 37 GLY CA . 30826 1 396 . 1 . 1 37 37 GLY N N 15 109.278 0.000 . . . . . A A 37 GLY N . 30826 1 397 . 1 . 1 38 38 LYS H H 1 8.941 0.000 . . . . . A A 38 LYS H . 30826 1 398 . 1 . 1 38 38 LYS HA H 1 4.465 0.000 . . . . . A A 38 LYS HA . 30826 1 399 . 1 . 1 38 38 LYS HB2 H 1 2.080 0.000 . . . . . A A 38 LYS HB2 . 30826 1 400 . 1 . 1 38 38 LYS HB3 H 1 1.652 0.000 . . . . . A A 38 LYS HB3 . 30826 1 401 . 1 . 1 38 38 LYS HG2 H 1 1.268 0.000 . . . . . A A 38 LYS HG2 . 30826 1 402 . 1 . 1 38 38 LYS HG3 H 1 1.215 0.000 . . . . . A A 38 LYS HG3 . 30826 1 403 . 1 . 1 38 38 LYS CA C 13 54.582 0.000 . . . . . A A 38 LYS CA . 30826 1 404 . 1 . 1 38 38 LYS CB C 13 31.948 0.007 . . . . . A A 38 LYS CB . 30826 1 405 . 1 . 1 38 38 LYS CG C 13 24.402 0.000 . . . . . A A 38 LYS CG . 30826 1 406 . 1 . 1 38 38 LYS N N 15 118.531 0.000 . . . . . A A 38 LYS N . 30826 1 407 . 1 . 1 39 39 CYS H H 1 8.272 0.000 . . . . . A A 39 CYS H . 30826 1 408 . 1 . 1 39 39 CYS HA H 1 4.587 0.000 . . . . . A A 39 CYS HA . 30826 1 409 . 1 . 1 39 39 CYS HB2 H 1 3.253 0.000 . . . . . A A 39 CYS HB2 . 30826 1 410 . 1 . 1 39 39 CYS HB3 H 1 3.253 0.000 . . . . . A A 39 CYS HB3 . 30826 1 411 . 1 . 1 39 39 CYS CA C 13 54.101 0.000 . . . . . A A 39 CYS CA . 30826 1 412 . 1 . 1 39 39 CYS CB C 13 39.350 0.000 . . . . . A A 39 CYS CB . 30826 1 413 . 1 . 1 39 39 CYS N N 15 116.354 0.000 . . . . . A A 39 CYS N . 30826 1 stop_ save_